(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide

C15H15NO2S — CID 887907

IUPAC(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C15H15NO2S/c1-11-5-7-14(18-2)13(10-11)16-15(17)8-6-12-4-3-9-19-12/h3-10H,1-2H3,(H,16,17)/b8-6+
InChIKeyXPEYIQMPZWKWTD-SOFGYWHQSA-N
MW273.36 g/mol
LogP3.72
Rot. Bonds4

About (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 887907) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID887907
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C15H15NO2S/c1-11-5-7-14(18-2)13(10-11)16-15(17)8-6-12-4-3-9-19-12/h3-10H,1-2H3,(H,16,17)/b8-6+
InChIKeyXPEYIQMPZWKWTD-SOFGYWHQSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810921
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 30390345
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 9081709
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 2101513
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235648
3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196
(E)-3-(3-bromophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 2060872
methyl 4-[3-(2-methoxy-5-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 3402722

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 887907) is (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide is COc1ccc(C)cc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is XPEYIQMPZWKWTD-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-11-5-7-14(18-2)13(10-11)16-15(17)8-6-12-4-3-9-19-12/h3-10H,1-2H3,(H,16,17)/b8-6+.
What are the key properties of (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 273.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 887907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).